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207676-44-6 | Carbamic acid, (5-aminopentyl)-, 2-propenyl ester (9CI)
CAS No: 207676-44-6 Catalog No: AG002J7A MDL No:
Product Description
Catalog Number:
AG002J7A
Chemical Name:
Carbamic acid, (5-aminopentyl)-, 2-propenyl ester (9CI)
CAS Number:
207676-44-6
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
IUPAC Name:
prop-2-enyl N-(5-aminopentyl)carbamate;hydrochloride
InChI:
InChI=1S/C9H18N2O2.ClH/c1-2-8-13-9(12)11-7-5-3-4-6-10;/h2H,1,3-8,10H2,(H,11,12);1H
InChI Key:
RXDHRWKGTMXRAD-UHFFFAOYSA-N
SMILES:
NCCCCCNC(=O)OCC=C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.114g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
222.713g/mol
Monoisotopic Mass:
222.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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